UCSF

ZINC19587884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 10.96 -100.73 2 3 2 12 317.521 6
Mid Mid (pH 6-8) 3.08 9.06 -34.56 1 3 1 11 316.513 6
Mid Mid (pH 6-8) 3.08 8.4 -38.99 1 3 1 11 316.513 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )